3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]benzamide CAS Name: 3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NNC(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NNC(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H21N5O4/c1-14-11-18(15(2)26(14)20-7-9-21(10-8-20)27(30)31)13-23-25-22(29)17-5-4-6-19(12-17)24-16(3)28/h4-13H,1-3H3,(H,24,28)(H,25,29)